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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-activated protein kinase 3' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50402020
PNG
(CHEMBL2205426)
Show SMILES CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
Show InChI InChI=1S/C23H22N6O2/c1-23(2,3)29-19-18(20(30)21(19)31)27-17-10-13-25-22(28-17)26-16-6-4-14(5-7-16)15-8-11-24-12-9-15/h4-13,29H,1-3H3,(H2,25,26,27,28)
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>9.20E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of recombinant MK3 after 1 hr by scintillation counter analysis in presence of gamma-[33P]ATP


Bioorg Med Chem Lett 22: 7615-22 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>9.23E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 17: 6593-601 (2007)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM30185
PNG
(CHEMBL226403 | Pyrrolopyridine, 16)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1cnc2ccccc2c1
Show InChI InChI=1S/C21H16N4O/c26-21-16-11-20(25-18(16)6-8-23-21)14-5-7-22-19(10-14)15-9-13-3-1-2-4-17(13)24-12-15/h1-5,7,9-12,25H,6,8H2,(H,23,26)
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n/an/a 210n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50012060
PNG
(CHEMBL3263640)
Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nc[nH]c2n1
Show InChI InChI=1S/C34H35N7O3/c1-21-26(6-5-7-27(21)38-32(42)22-8-12-24(13-9-22)34(2,3)4)29-39-30-28(35-20-36-30)31(40-29)37-25-14-10-23(11-15-25)33(43)41-16-18-44-19-17-41/h5-15,20H,16-19H2,1-4H3,(H,38,42)(H2,35,36,37,39,40)
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n/an/a 213n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK3 (unknown origin)


Bioorg Med Chem Lett 24: 2206-11 (2014)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM30178
PNG
(Pyrrolopyridine, 9)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)
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n/an/a 660n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50315888
PNG
(CHEMBL1090360 | N-(3-(5-(2-(3-morpholinophenylamin...)
Show SMILES O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
Show InChI InChI=1S/C33H29N7O2S/c41-29(20-23-6-2-1-3-7-23)35-25-9-4-8-24(21-25)30-31(40-16-19-43-33(40)38-30)28-12-13-34-32(37-28)36-26-10-5-11-27(22-26)39-14-17-42-18-15-39/h1-13,16,19,21-22H,14-15,17-18,20H2,(H,35,41)(H,34,36,37)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 20: 2452-5 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM30192
PNG
(Pyrrolopyridine, 23)
Show SMILES Fc1ccccc1-c1cc(ccn1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23)
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n/an/a 1.10E+3n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50305006
PNG
(5-(2-aminoethyl)-7-(7-(benzo[b]thiophen-2-yl)-1H-i...)
Show SMILES NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
Show InChI InChI=1S/C23H19N7S/c24-5-6-30-12-17(22-18(30)11-26-23(25)28-22)14-7-15-10-27-29-21(15)16(8-14)20-9-13-3-1-2-4-19(13)31-20/h1-4,7-12H,5-6,24H2,(H,27,29)(H2,25,26,28)
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n/an/a 3.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 20: 334-7 (2010)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50220232
PNG
((S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-...)
Show SMILES C[C@H]1CN(CCN1C(=O)OCc1ccccc1)c1ccc(cn1)C(=O)Nc1ccccc1N
Show InChI InChI=1S/C25H27N5O3/c1-18-16-29(13-14-30(18)25(32)33-17-19-7-3-2-4-8-19)23-12-11-20(15-27-23)24(31)28-22-10-6-5-9-21(22)26/h2-12,15,18H,13-14,16-17,26H2,1H3,(H,28,31)/t18-/m0/s1
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n/an/a 4.52E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity against human MAPK3


Bioorg Med Chem Lett 17: 5300-9 (2007)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50242737
PNG
((R,Z)-5-(2,6-dichlorobenzylsulfonyl)-3-((3,5-dimet...)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1
Show InChI InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Inhibition of MK3


Proc Natl Acad Sci USA 104: 19936-41 (2007)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50429867
PNG
(CHEMBL2333365)
Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK3 (unknown origin)


J Med Chem 56: 2218-34 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50001733
PNG
(CHEMBL3133821)
Show SMILES Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
Show InChI InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of human MAPKAPK3


Bioorg Med Chem Lett 24: 1948-51 (2014)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50401152
PNG
(CHEMBL2205766)
Show SMILES CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
Show InChI InChI=1S/C15H18N6O2S/c1-15(2,3)20-24(22,23)12-6-11(8-17-9-12)10-4-5-21-13(7-10)18-14(16)19-21/h4-9,20H,1-3H3,(H2,16,19)
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n/an/a<1.00E+4n/an/an/an/an/an/a



Cellzome Ltd

Curated by ChEMBL


Assay Description
Inhibition of MAPK3


Bioorg Med Chem Lett 22: 4613-8 (2012)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human MAPKAPK3 using [KKLNRTLSVA] as substrate


Bioorg Med Chem 24: 521-44 (2016)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50346918
PNG
(CHEMBL1738710)
Show SMILES Cc1ccc(cc1-n1cnc(OCc2ccc(F)cc2F)c(Cl)c1=O)C(=O)NCCO
Show InChI InChI=1S/C21H18ClF2N3O4/c1-12-2-3-13(19(29)25-6-7-28)8-17(12)27-11-26-20(18(22)21(27)30)31-10-14-4-5-15(23)9-16(14)24/h2-5,8-9,11,28H,6-7,10H2,1H3,(H,25,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 21: 3856-60 (2011)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM93224
PNG
(Kinase inhibitor, A1)
Show SMILES CC1CN(CC(C)O1)c1nc2ccccn2c(=O)c1N
Show InChI InChI=1S/C14H18N4O2/c1-9-7-17(8-10(2)20-9)13-12(15)14(19)18-6-4-3-5-11(18)16-13/h3-6,9-10H,7-8,15H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Dundee



Assay Description
Selected compounds were screened against a panel of mammalian kinases. Compounds were supplied in DMSO and screened in duplicates at 100 uM concentr...


ACS Chem Biol 8: 1044-52 (2013)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50359359
PNG
(CHEMBL1929238)
Show SMILES CN(C)CCN1CCN(CCC1=O)C(=O)c1cc(sc1NC(=O)Nc1cccc(Cl)c1Cl)C(C)(C)C
Show InChI InChI=1S/C25H33Cl2N5O3S/c1-25(2,3)19-15-16(22(36-19)29-24(35)28-18-8-6-7-17(26)21(18)27)23(34)32-10-9-20(33)31(13-14-32)12-11-30(4)5/h6-8,15H,9-14H2,1-5H3,(H2,28,29,35)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK3


Bioorg Med Chem Lett 21: 7155-65 (2011)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Ansaris

Curated by ChEMBL


Assay Description
Inhibition of MAPKAPK3


Bioorg Med Chem Lett 21: 7155-65 (2011)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM27344
PNG
(2-(pyridin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyri...)
Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccncc1
Show InChI InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
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n/an/a 5.77E+4n/an/an/an/a7.530



Pfizer



Assay Description
Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...


J Med Chem 50: 2647-54 (2007)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50215481
PNG
(5-methoxy-9,12-diazatetracyclo[10.2.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCC(C4)c3c2c1)C(O)=O
Show InChI InChI=1S/C15H16N2O3/c1-20-9-2-3-11-10(6-9)12-8-4-5-17(7-8)14(15(18)19)13(12)16-11/h2-3,6,8,14,16H,4-5,7H2,1H3,(H,18,19)
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n/an/a 9.00E+4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 17: 4657-63 (2007)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50215497
PNG
(5-methoxy-9,12-diazatetracyclo[10.3.1.0^{2,10}.0^{...)
Show SMILES COc1ccc2[nH]c3C(N4CCCC(C4)c3c2c1)C(O)=O
Show InChI InChI=1S/C16H18N2O3/c1-21-10-4-5-12-11(7-10)13-9-3-2-6-18(8-9)15(16(19)20)14(13)17-12/h4-5,7,9,15,17H,2-3,6,8H2,1H3,(H,19,20)
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n/an/a 1.60E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 17: 4657-63 (2007)

More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 3


(Homo sapiens (human))
BDBM50215483
PNG
(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol...)
Show SMILES COc1ccc2[nH]c3C(NCCc3c2c1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
PDB
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of MK3


Bioorg Med Chem Lett 17: 4657-63 (2007)

More data for this
Ligand-Target Pair